1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine

C14H13ClFN — CID 82783615

IUPAC1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccccc2F)cc1Cl
InChIInChI=1S/C14H13ClFN/c1-9(17)11-7-6-10(8-13(11)15)12-4-2-3-5-14(12)16/h2-9H,17H2,1H3
InChIKeyYRJBQSVOZHAXJS-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.17
Rot. Bonds2

About 1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine

1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine (PubChem CID 82783615) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine
PubChem CID82783615
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine
SMILESCC(N)c1ccc(-c2ccccc2F)cc1Cl
InChIInChI=1S/C14H13ClFN/c1-9(17)11-7-6-10(8-13(11)15)12-4-2-3-5-14(12)16/h2-9H,17H2,1H3
InChIKeyYRJBQSVOZHAXJS-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine (CID 82783615) is 1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine is CC(N)c1ccc(-c2ccccc2F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine?
The InChIKey is YRJBQSVOZHAXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c1-9(17)11-7-6-10(8-13(11)15)12-4-2-3-5-14(12)16/h2-9H,17H2,1H3.
What are the key properties of 1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine?
1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine has a molecular weight of 249.72 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2-fluorophenyl)phenyl]ethanamine is sourced from PubChem (CID 82783615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).